N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide

C26H38N4O3 — CID 67125803

IUPACN-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
SMILESCc1cc2occc2c(N2CCN(CCC3CCC(NC(=O)C4CCOCC4)CC3)CC2)n1
InChIInChI=1S/C26H38N4O3/c1-19-18-24-23(9-17-33-24)25(27-19)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)
InChIKeyGRSPAVQNQLAIED-UHFFFAOYSA-N
MW454.62 g/mol
LogP3.75
Rot. Bonds6

About N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide

N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide (PubChem CID 67125803) has the molecular formula C26H38N4O3 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
PubChem CID67125803
Molecular FormulaC26H38N4O3
Molecular Weight454.62 g/mol
Exact Mass454.29
IUPAC NameN-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
SMILESCc1cc2occc2c(N2CCN(CCC3CCC(NC(=O)C4CCOCC4)CC3)CC2)n1
InChIInChI=1S/C26H38N4O3/c1-19-18-24-23(9-17-33-24)25(27-19)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31)
InChIKeyGRSPAVQNQLAIED-UHFFFAOYSA-N
XLogP3.75
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide with MolForge

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Related Compounds

4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
CID 9863365
2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
CID 10000386
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[3,2-c]pyridine-6-carboxamide
CID 10445883
6-[6-(Furo[3,2-c]pyridin-4-ylamino)-3-pyridinyl]-1,5-dimethylpyrimidine-2,4-dione
CID 155549423
N-(4,6-dimethyl-2-pyridinyl)-4-furo[3,2-c]pyridin-4-ylpiperazine-1-carbothioamide
CID 49853340
6-((1R,2S)-2-Aminocyclohexylamino)-4-(benzofuran-3-yl)-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53250214
US20230295171, Example 73
CID 53250522
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54768825
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-2-(trans-4-hydroxy-cyclohexyl)-acetamide
CID 54768826
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide
CID 54768827
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide
CID 54768828
trans-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-2-(3-methyl-isoxazol-5-yl)-acetamide
CID 54768830

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide (CID 67125803) is N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide is Cc1cc2occc2c(N2CCN(CCC3CCC(NC(=O)C4CCOCC4)CC3)CC2)n1.
What is the InChIKey of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
The InChIKey is GRSPAVQNQLAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3/c1-19-18-24-23(9-17-33-24)25(27-19)30-13-11-29(12-14-30)10-6-20-2-4-22(5-3-20)28-26(31)21-7-15-32-16-8-21/h9,17-18,20-22H,2-8,10-16H2,1H3,(H,28,31).
What are the key properties of N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?
N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-methylfuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 67125803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).